2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C15H31NO2 — CID 116769556

IUPAC2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCNC(COCC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-6-16-13(12-18-7-2)15(17-5)10-8-14(3,4)9-11-15/h13,16H,6-12H2,1-5H3
InChIKeyZTZIZNRXMAFMSK-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds7

About 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769556) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769556
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCNC(COCC)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H31NO2/c1-6-16-13(12-18-7-2)15(17-5)10-8-14(3,4)9-11-15/h13,16H,6-12H2,1-5H3
InChIKeyZTZIZNRXMAFMSK-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(furan-3-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769580
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769652
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678
1-[2-ethoxy-1-(ethylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79570079
[1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylpentyl]hydrazine
CID 105278075
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114476115
N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
CID 116714567
N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylhex-4-yn-1-amine
CID 116769667
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102834015

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769556) is 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is CCNC(COCC)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is ZTZIZNRXMAFMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-16-13(12-18-7-2)15(17-5)10-8-14(3,4)9-11-15/h13,16H,6-12H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).